(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C12H13ClN2S — CID 129462621

IUPAC(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC[C@H]1CCCc2nc(-c3ccc(Cl)s3)cn21
InChIInChI=1S/C12H13ClN2S/c1-8-3-2-4-12-14-9(7-15(8)12)10-5-6-11(13)16-10/h5-8H,2-4H2,1H3/t8-/m0/s1
InChIKeyORSIIAQXAWLQQC-QMMMGPOBSA-N
MW252.77 g/mol
LogP4.16
Rot. Bonds1

About (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 129462621) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID129462621
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESC[C@H]1CCCc2nc(-c3ccc(Cl)s3)cn21
InChIInChI=1S/C12H13ClN2S/c1-8-3-2-4-12-14-9(7-15(8)12)10-5-6-11(13)16-10/h5-8H,2-4H2,1H3/t8-/m0/s1
InChIKeyORSIIAQXAWLQQC-QMMMGPOBSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 129462621) is (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is C[C@H]1CCCc2nc(-c3ccc(Cl)s3)cn21.
What is the InChIKey of (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is ORSIIAQXAWLQQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-3-2-4-12-14-9(7-15(8)12)10-5-6-11(13)16-10/h5-8H,2-4H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
(5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 252.77 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-chlorothiophen-2-yl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 129462621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).